5-[[4-(2-methoxy-3-propan-2-yl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one

Systemtic Name: 5-[[4-(2-methoxy-3-propan-2-yl-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Openeye Name: 5-[[2-hydroxy-4-(3-isopropyl-2-methoxy-phenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one CAS Name: 5-[[2-hydroxy-4-(2-methoxy-3-propan-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one IUPAC Name: 5-[[2-hydroxy-4-(2-methoxy-3-propan-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]-2H-isoquinolin-1-one Traditional Name: 5-[[2-hydroxy-4-(3-isopropyl-2-methoxy-phenyl)-4-methyl-2-(trifluoromethyl)pentylidene]amino]isocarbostyril Formula: C26H29F3N2O3 MolecularWeight: 474.51527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)(C)CC(C=NC2=CC=CC3=C2C=CNC3=O)(C(F)(F)F)O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)(C)CC(C=NC2=CC=CC3=C2C=CNC3=O)(C(F)(F)F)O)OC

InChI

InChI=1S/C26H29F3N2O3/c1-16(2)17-8-6-10-20(22(17)34-5)24(3,4)14-25(33,26(27,28)29)15-31-21-11-7-9-19-18(21)12-13-30-23(19)32/h6-13,15-16,33H,14H2,1-5H3,(H,30,32)